#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 -1.75 -0.07 0.44 5.66 -1.26 -4.89 114.28 112.41 1ggw n THR 3 Ca 0.00 -0.25 -0.06 0.00 -3.05 0.00 0.00 64.05 60.69 1ggw n THR 3 Cb 0.00 -1.92 -0.03 0.00 -1.55 0.00 0.00 70.33 66.83 1ggw n THR 3 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1ggw h ASP 4 N -1.64 0.00 -2.67 1.09 5.19 -2.06 -3.46 116.42 112.88 1ggw h ASP 4 Ca -0.61 -0.10 -0.54 0.00 -0.62 0.00 0.00 57.03 55.15 1ggw h ASP 4 Cb 1.38 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 40.50 1ggw h ASP 4 CO 0.72 0.80 -0.80 -1.81 -3.12 0.00 0.00 179.24 175.03 1ggw s ASP 5 N -5.85 3.20 0.07 6.45 1.01 -1.26 -5.02 116.67 115.26 1ggw s ASP 5 Ca -0.14 -1.63 -0.20 0.00 0.71 0.00 0.00 52.55 51.29 1ggw s ASP 5 Cb 0.02 -0.32 -0.10 0.00 1.01 0.00 0.00 42.92 43.53 1ggw s ASP 5 CO 0.24 -0.38 1.51 -1.28 0.21 0.00 0.00 175.17 175.46 1ggw h SER 6 N 7.82 0.33 1.36 0.27 0.87 -1.95 0.30 113.55 122.55 1ggw h SER 6 Ca -0.09 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1ggw h SER 6 Cb 1.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1ggw h SER 6 CO 0.36 0.55 0.00 -0.81 -0.53 0.00 0.00 176.83 176.40 1ggw n PRO 7 N -4.71 0.22 -0.00 2.24 -0.04 -1.26 0.08 135.00 131.53 1ggw n PRO 7 Ca -0.04 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1ggw n PRO 7 Cb 0.22 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -2.15 0.00 0.13 0.54 4.01 -1.20 -4.48 117.16 114.01 1ggw n TYR 8 Ca 0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1ggw n TYR 8 Cb 0.40 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N -0.33 -0.36 -0.29 -0.72 3.64 -0.82 -1.75 116.57 115.94 1ggw h LYS 9 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ggw h LYS 9 Cb 0.33 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1ggw h LYS 9 CO 0.00 -0.24 0.13 0.37 -2.27 0.00 0.00 179.45 177.44 1ggw h GLN 10 N -0.82 0.28 -0.53 1.90 5.75 -0.63 -2.19 115.11 118.88 1ggw h GLN 10 Ca -0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1ggw h GLN 10 Cb 0.29 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1ggw h GLN 10 CO 0.06 0.18 0.30 0.00 -2.65 0.00 0.00 178.83 176.73 1ggw h ALA 11 N 1.15 0.68 -0.57 3.38 0.00 -0.50 -2.28 119.26 121.12 1ggw h ALA 11 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1ggw h ALA 11 Cb 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1ggw h ALA 11 CO -0.09 -0.01 0.21 0.35 0.00 0.00 0.00 179.25 179.71 1ggw h PHE 12 N 0.59 0.37 -0.58 0.00 3.04 -0.94 -1.03 116.94 118.40 1ggw h PHE 12 Ca 0.22 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.22 1ggw h PHE 12 Cb 0.06 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1ggw h PHE 12 CO -0.08 0.11 0.38 0.77 -2.02 0.00 0.00 178.31 177.47 1ggw h SER 13 N 0.40 0.61 0.03 0.41 0.02 -0.86 -1.46 113.55 112.69 1ggw h SER 13 Ca 0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1ggw h SER 13 Cb 0.32 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1ggw h SER 13 CO -0.28 0.43 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.74 1ggw h LEU 14 N 0.71 0.00 -3.37 5.07 3.38 -0.72 -1.86 115.31 118.52 1ggw h LEU 14 Ca 0.22 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.89 1ggw h LEU 14 Cb 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.60 1ggw h LEU 14 CO -0.06 0.02 0.38 0.49 0.09 0.00 0.00 178.44 179.37 1ggw n PHE 15 N -4.41 2.15 -3.48 1.13 3.72 -0.55 -4.91 117.46 111.11 1ggw n PHE 15 Ca -0.03 -1.29 -0.38 0.00 -0.05 0.00 0.00 57.45 55.70 1ggw n PHE 15 Cb 0.11 -0.69 -0.09 0.00 -0.94 0.00 0.00 39.48 37.87 1ggw n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ggw s ASP 16 N -0.70 6.26 0.10 4.37 1.11 -0.70 -4.79 116.67 122.33 1ggw s ASP 16 Ca 0.42 0.29 -0.25 0.00 0.18 0.00 0.00 52.55 53.20 1ggw s ASP 16 Cb 0.35 -2.18 -0.11 0.00 1.07 0.00 0.00 42.92 42.05 1ggw s ASP 16 CO 0.09 -0.07 1.69 0.03 1.18 0.00 0.00 175.17 178.08 1ggw h ARG 17 N 7.75 -0.27 0.00 8.23 2.47 -1.90 -3.32 114.38 127.34 1ggw h ARG 17 Ca -0.35 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.31 1ggw h ARG 17 Cb 1.17 0.06 -0.16 0.00 -1.65 0.00 0.00 29.97 29.39 1ggw h ARG 17 CO 0.66 -0.18 -0.67 0.72 0.56 0.00 0.00 179.97 181.06 1ggw n HIS 18 N -5.26 0.00 -3.68 3.04 8.25 -1.26 -5.00 115.22 111.31 1ggw n HIS 18 Ca -0.07 -0.84 -0.21 0.00 -0.26 0.00 0.00 57.72 56.34 1ggw n HIS 18 Cb 0.18 -0.17 0.04 0.00 1.12 0.00 0.00 29.99 31.16 1ggw n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggw n GLY 19 N -0.34 -0.31 0.09 -1.41 0.00 -1.25 -4.92 105.19 97.05 1ggw n GLY 19 Ca 0.11 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -4.28 1.42 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.53 1ggw n THR 20 Ca -0.28 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1ggw n THR 20 Cb 0.67 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1ggw n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 21 N 1.58 1.01 3.42 3.38 0.00 -1.26 -5.12 105.19 108.21 1ggw n GLY 21 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1ggw n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggw s ARG 22 N -0.10 1.57 -0.07 1.61 3.00 -1.26 -3.68 118.95 120.03 1ggw s ARG 22 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 55.73 53.85 1ggw s ARG 22 Cb 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 34.95 34.05 1ggw s ARG 22 CO 0.00 -0.10 0.16 0.96 0.00 0.00 0.00 175.30 176.32 1ggw s ILE 23 N -3.22 -0.03 0.72 1.52 -4.36 -1.11 -4.60 121.20 110.12 1ggw s ILE 23 Ca 0.33 0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 60.75 1ggw s ILE 23 Cb 0.07 -0.25 0.08 0.00 1.25 0.00 0.00 42.46 43.61 1ggw s ILE 23 CO 0.13 0.04 1.02 -2.16 0.24 0.00 0.00 174.94 174.21 1ggw s PRO 24 N 0.72 2.00 0.41 0.37 0.05 -1.26 -2.06 135.00 135.23 1ggw s PRO 24 Ca -0.05 -0.42 0.25 0.00 0.05 0.00 0.00 61.00 60.83 1ggw s PRO 24 Cb -0.07 -2.18 1.30 0.00 0.05 0.00 0.00 34.50 33.60 1ggw s PRO 24 CO -0.04 -1.34 1.67 1.57 0.05 0.00 0.00 177.00 178.91 1ggw h LYS 25 N -0.64 0.19 -0.39 4.56 2.10 -1.90 0.16 116.57 120.64 1ggw h LYS 25 Ca -0.43 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.30 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1ggw h LYS 25 CO 0.55 0.12 0.23 1.79 -2.00 0.00 0.00 179.45 180.14 1ggw h THR 26 N 0.19 1.13 -0.12 0.07 1.35 -1.96 -2.41 112.91 111.16 1ggw h THR 26 Ca 0.75 -0.31 -0.06 0.00 -0.55 0.00 0.00 66.41 66.24 1ggw h THR 26 Cb 2.17 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1ggw h THR 26 CO -0.41 0.13 -0.16 0.28 -0.25 0.00 0.00 175.52 175.11 1ggw h SER 27 N 0.51 0.34 -0.65 5.36 0.02 -1.03 -3.18 113.55 114.91 1ggw h SER 27 Ca 0.14 -0.52 0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1ggw h SER 27 Cb 0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1ggw h SER 27 CO -0.03 0.79 0.44 0.40 -1.14 0.00 0.00 176.83 177.29 1ggw h ILE 28 N -0.10 0.84 0.04 3.27 1.08 -1.31 -0.95 117.51 120.38 1ggw h ILE 28 Ca 0.01 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1ggw h ILE 28 Cb 0.71 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1ggw h ILE 28 CO 0.04 0.07 -0.06 1.23 -0.69 0.00 0.00 178.15 178.74 1ggw h GLY 29 N 0.37 -0.91 2.00 5.37 0.00 -1.41 0.16 103.07 108.65 1ggw h GLY 29 Ca 0.31 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 48.01 1ggw h GLY 29 CO -0.08 -0.33 -0.11 1.29 0.00 0.00 0.00 176.54 177.30 1ggw h ASP 30 N -0.10 0.00 -0.08 0.19 3.04 -1.64 -2.64 116.42 115.18 1ggw h ASP 30 Ca -0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.09 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.38 1ggw h ASP 30 CO -0.02 0.11 0.03 0.25 -2.04 0.00 0.00 179.24 177.57 1ggw h LEU 31 N 0.00 0.12 -1.80 0.15 5.85 -0.85 -2.64 115.31 116.15 1ggw h LEU 31 Ca -0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ggw h LEU 31 Cb 0.26 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ggw h LEU 31 CO 0.01 0.29 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.30 1ggw h LEU 32 N -0.06 0.07 -1.14 2.25 3.38 -0.33 -2.31 115.31 117.18 1ggw h LEU 32 Ca 0.03 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 32 Cb 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1ggw h LEU 32 CO -0.00 0.12 0.60 -0.09 0.09 0.00 0.00 178.44 179.16 1ggw h ARG 33 N 0.08 0.91 -0.15 1.13 2.43 -1.00 -0.25 114.38 117.54 1ggw h ARG 33 Ca 0.02 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1ggw h ARG 33 Cb 0.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ggw h ARG 33 CO 0.01 0.60 -0.11 0.00 -1.51 0.00 0.00 179.97 178.95 1ggw h ALA 34 N 1.54 1.54 0.18 2.80 0.00 -1.40 -2.96 119.26 120.96 1ggw h ALA 34 Ca 0.44 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1ggw h ALA 34 Cb 0.43 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ggw h ALA 34 CO -0.20 0.33 -1.10 0.00 0.00 0.00 0.00 179.25 178.27 1ggw n GLY 36 N 1.62 -1.43 3.44 0.00 0.00 -0.28 -5.10 105.19 103.44 1ggw n GLY 36 Ca -0.15 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1ggw n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggw s GLN 37 N -0.07 1.81 -0.24 1.61 -0.21 -1.23 -4.80 119.66 116.53 1ggw s GLN 37 Ca 0.00 -2.07 0.02 0.00 0.02 0.00 0.00 55.36 53.33 1ggw s GLN 37 Cb 0.00 -0.41 0.05 0.00 1.00 0.00 0.00 33.01 33.65 1ggw s GLN 37 CO 0.00 -0.47 -0.13 1.21 -2.12 0.00 0.00 175.29 173.78 1ggw s ASN 38 N -3.52 4.07 0.25 5.90 3.04 -1.26 -1.90 114.94 121.53 1ggw s ASN 38 Ca 0.29 -1.16 0.00 0.00 0.04 0.00 0.00 52.86 52.04 1ggw s ASN 38 Cb 0.04 -1.54 0.00 0.00 -1.54 0.00 0.00 41.25 38.21 1ggw s ASN 38 CO 0.17 -0.13 0.00 -0.81 -3.04 0.00 0.00 177.10 173.28 1ggw n PRO 39 N 4.50 0.80 -3.34 0.43 -0.04 -1.26 -5.03 135.00 131.06 1ggw n PRO 39 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1ggw n PRO 39 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.19 3.87 0.44 0.52 -4.23 -1.26 -4.99 115.64 109.80 1ggw s THR 40 Ca 0.00 -0.95 0.16 0.00 -1.18 0.00 0.00 61.69 59.72 1ggw s THR 40 Cb 0.00 -3.34 0.35 0.00 1.34 0.00 0.00 72.50 70.85 1ggw s THR 40 CO 0.00 -0.14 1.95 -0.07 -0.54 0.00 0.00 174.62 175.82 1ggw h LEU 41 N 0.79 0.35 -1.28 4.79 -0.00 -1.99 0.27 115.31 118.24 1ggw h LEU 41 Ca -0.45 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 1ggw h LEU 41 Cb 1.26 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 1ggw h LEU 41 CO 0.52 0.19 0.47 0.00 -0.00 0.00 0.00 178.44 179.62 1ggw h ALA 42 N 1.67 1.47 0.24 1.53 0.00 -1.98 -0.22 119.26 121.97 1ggw h ALA 42 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ggw h ALA 42 Cb 0.75 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ggw h ALA 42 CO -0.09 0.48 -0.11 0.93 0.00 0.00 0.00 179.25 180.46 1ggw h GLU 43 N 0.98 -0.31 -0.39 0.00 3.07 -1.33 -0.61 114.58 115.99 1ggw h GLU 43 Ca 0.26 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.18 1ggw h GLU 43 Cb -0.10 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 1ggw h GLU 43 CO -0.06 0.05 0.19 -0.84 -1.40 0.00 0.00 179.01 176.95 1ggw h ILE 44 N -0.74 0.96 -0.97 3.13 -2.65 -1.36 -1.40 117.51 114.49 1ggw h ILE 44 Ca -0.03 -0.13 0.01 0.00 1.03 0.00 0.00 64.86 65.73 1ggw h ILE 44 Cb 0.49 0.55 -0.05 0.00 -2.05 0.00 0.00 36.82 35.77 1ggw h ILE 44 CO 0.05 0.07 0.64 0.74 0.03 0.00 0.00 178.15 179.68 1ggw h THR 45 N 0.38 1.25 -0.80 0.16 2.02 -1.09 -1.48 112.91 113.36 1ggw h THR 45 Ca 0.17 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.92 1ggw h THR 45 Cb 0.09 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.28 1ggw h THR 45 CO -0.13 0.25 0.53 -0.08 0.37 0.00 0.00 175.52 176.46 1ggw h GLU 46 N 1.33 0.92 -0.25 6.66 4.57 -0.19 -1.81 114.58 125.81 1ggw h GLU 46 Ca 0.36 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1ggw h GLU 46 Cb -0.14 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.24 1ggw h GLU 46 CO -0.08 0.61 -0.04 0.82 -1.18 0.00 0.00 179.01 179.14 1ggw h ILE 47 N 0.94 1.27 -0.24 2.32 2.04 -0.29 -2.72 117.51 120.84 1ggw h ILE 47 Ca 0.33 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.25 1ggw h ILE 47 Cb 0.11 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ggw h ILE 47 CO -0.10 0.32 0.22 -0.33 0.00 0.00 0.00 178.15 178.25 1ggw h GLU 48 N 0.21 0.00 0.00 2.37 5.08 -0.58 -1.11 114.58 120.55 1ggw h GLU 48 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ggw h GLU 48 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ggw h GLU 48 CO 0.02 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.90 1ggw n SER 49 N -4.02 0.00 -0.00 1.42 3.41 -0.79 -3.63 113.62 110.01 1ggw n SER 49 Ca 0.03 0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.94 1ggw n SER 49 Cb 0.36 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggw n THR 50 N -1.39 0.47 -2.93 6.66 -2.24 -0.43 -5.05 114.28 109.37 1ggw n THR 50 Ca 0.03 0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 1ggw n THR 50 Cb 0.07 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 1ggw n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ggw s LEU 51 N -6.43 3.87 0.26 3.22 2.01 -1.13 -5.00 118.68 115.48 1ggw s LEU 51 Ca -0.04 1.05 -0.23 0.00 0.01 0.00 0.00 54.13 54.92 1ggw s LEU 51 Cb 0.01 -3.93 -0.15 0.00 0.01 0.00 0.00 46.19 42.14 1ggw s LEU 51 CO 0.05 -0.37 0.32 -2.65 1.01 0.00 0.00 176.35 174.71 1ggw n PRO 52 N -1.26 0.00 -0.10 1.29 -0.02 -1.26 -4.64 135.00 129.02 1ggw n PRO 52 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1ggw n PRO 52 Cb 0.54 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 33.08 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -0.38 -0.15 -2.66 3.55 0.00 -1.26 -3.88 120.51 115.73 1ggw n ALA 53 Ca 0.14 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 1ggw n ALA 53 Cb 0.28 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -4.18 4.25 -1.06 0.00 2.02 -1.26 -4.89 118.70 113.58 1ggw s GLU 54 Ca -0.03 0.87 -0.18 0.00 0.02 0.00 0.00 54.97 55.65 1ggw s GLU 54 Cb 0.02 -3.58 0.12 0.00 0.10 0.00 0.00 34.13 30.79 1ggw s GLU 54 CO 0.14 -0.32 1.35 0.08 0.02 0.00 0.00 175.26 176.53 1ggw s VAL 55 N 2.14 4.56 0.89 2.63 1.01 -0.88 -4.80 120.40 125.96 1ggw s VAL 55 Ca 0.35 -1.72 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1ggw s VAL 55 Cb -0.16 -4.92 0.19 0.00 0.00 0.00 0.00 36.38 31.49 1ggw s VAL 55 CO 0.11 -1.69 1.22 1.51 0.00 0.00 0.00 175.10 176.25 1ggw s ASP 56 N 3.78 3.39 0.29 3.32 1.47 -1.26 -2.77 116.67 124.89 1ggw s ASP 56 Ca 0.41 -0.11 -0.02 0.00 1.18 0.00 0.00 52.55 54.00 1ggw s ASP 56 Cb -0.02 0.02 0.62 0.00 -0.34 0.00 0.00 42.92 43.20 1ggw s ASP 56 CO -0.05 -2.53 1.58 0.24 0.68 0.00 0.00 175.17 175.09 1ggw h MET 57 N -1.29 0.02 0.21 2.11 2.86 -1.95 0.37 114.93 117.28 1ggw h MET 57 Ca -0.40 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1ggw h MET 57 Cb 1.23 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1ggw h MET 57 CO 0.34 0.02 -0.10 1.49 1.06 0.00 0.00 176.91 179.72 1ggw h GLU 58 N 0.03 -0.28 0.17 1.72 4.81 -1.92 -0.11 114.58 119.00 1ggw h GLU 58 Ca 0.53 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1ggw h GLU 58 Cb 1.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1ggw h GLU 58 CO -0.89 -0.05 -0.22 1.96 -0.73 0.00 0.00 179.01 179.07 1ggw h GLN 59 N -0.47 -0.43 -0.01 1.92 7.50 -1.42 0.25 115.11 122.45 1ggw h GLN 59 Ca -0.03 0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.35 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1ggw h GLN 59 CO 0.05 -0.29 0.01 0.35 -1.50 0.00 0.00 178.83 177.45 1ggw h PHE 60 N -0.45 0.02 0.00 2.96 3.57 -1.06 -2.59 116.94 119.38 1ggw h PHE 60 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ggw h PHE 60 Cb 0.44 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1ggw h PHE 60 CO -0.18 0.13 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.88 1ggw h LEU 61 N -0.10 0.00 -0.02 0.59 3.38 -0.92 -1.17 115.31 117.08 1ggw h LEU 61 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ggw h LEU 61 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ggw h LEU 61 CO -0.00 0.08 0.01 1.56 0.09 0.00 0.00 178.44 180.17 1ggw h GLN 62 N 0.00 0.03 -0.18 1.13 4.20 -0.12 0.54 115.11 120.71 1ggw h GLN 62 Ca -0.00 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1ggw h GLN 62 Cb 0.15 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ggw h GLN 62 CO 0.01 0.21 -0.54 -0.39 -0.67 0.00 0.00 178.83 177.45 1ggw h VAL 63 N -0.16 1.32 0.27 -0.54 -1.51 -1.23 -3.25 116.25 111.15 1ggw h VAL 63 Ca 0.01 -1.79 -0.01 0.00 -1.23 0.00 0.00 66.70 63.68 1ggw h VAL 63 Cb 0.19 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1ggw h VAL 63 CO -0.00 0.55 -0.13 0.25 -1.23 0.00 0.00 177.57 177.01 1ggw h LEU 64 N 0.42 -0.30 -5.19 4.19 5.85 -1.15 -3.35 115.31 115.78 1ggw h LEU 64 Ca 0.01 0.01 -0.69 0.00 0.84 0.00 0.00 57.88 58.05 1ggw h LEU 64 Cb 1.08 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1ggw h LEU 64 CO 0.10 0.05 3.36 0.59 -0.34 0.00 0.00 178.44 182.21 1ggw n ASN 65 N -4.48 8.52 -0.03 1.25 3.02 0.19 -4.70 115.26 119.03 1ggw n ASN 65 Ca -0.04 -2.75 -0.09 0.00 -0.03 0.00 0.00 54.58 51.66 1ggw n ASN 65 Cb 0.14 -1.49 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ggw h ARG 66 N 4.85 0.11 -0.86 3.52 3.08 -1.70 -2.47 114.38 120.91 1ggw h ARG 66 Ca 0.82 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.86 1ggw h ARG 66 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ggw h ARG 66 CO 1.67 0.07 0.00 -0.35 -1.07 0.00 0.00 179.97 180.29 1ggw n PRO 67 N -5.08 1.74 -2.86 0.04 -0.04 -1.26 -4.94 135.00 122.60 1ggw n PRO 67 Ca -0.03 -0.62 -0.03 0.00 -0.04 0.00 0.00 63.50 62.78 1ggw n PRO 67 Cb 0.07 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1ggw n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ggw n ASN 68 N 0.11 -7.65 0.00 3.54 2.85 -0.93 -4.93 115.26 108.24 1ggw n ASN 68 Ca 0.05 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.58 1ggw n ASN 68 Cb 0.41 -4.48 0.00 0.00 1.24 0.00 0.00 39.78 36.95 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 0.64 -1.04 0.81 8.20 0.00 -1.26 -4.95 105.19 107.59 1ggw n GLY 69 Ca 0.01 -1.22 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N 9.00 0.00 -0.70 1.61 3.72 -1.26 -4.71 117.46 125.11 1ggw n PHE 70 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1ggw n PHE 70 Cb 0.00 -0.21 0.37 0.00 -0.94 0.00 0.00 39.48 38.70 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ggw n ASP 71 N -3.35 5.25 -0.10 4.37 8.00 -1.26 -4.38 116.55 125.07 1ggw n ASP 71 Ca -0.11 -2.80 -0.24 0.00 0.71 0.00 0.00 54.79 52.35 1ggw n ASP 71 Cb 0.51 -0.66 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 1ggw n ASP 71 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ggw n MET 72 N 0.63 0.59 -0.36 -1.24 2.81 -1.26 -4.38 117.12 113.91 1ggw n MET 72 Ca 0.25 0.46 0.27 0.00 -1.81 0.00 0.00 57.70 56.87 1ggw n MET 72 Cb 1.09 -1.67 0.55 0.00 -0.71 0.00 0.00 33.22 32.47 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ggw h PRO 73 N -0.88 0.29 0.00 0.03 0.11 -1.88 -3.46 132.00 126.21 1ggw h PRO 73 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ggw h PRO 73 Cb 1.47 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1ggw h PRO 73 CO -0.24 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 1ggw n GLY 74 N -1.47 0.39 3.79 -0.55 0.00 -1.26 -5.05 105.19 101.04 1ggw n GLY 74 Ca 0.29 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1ggw n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggw s ASP 75 N 0.00 7.22 0.12 1.61 1.01 -1.26 -4.99 116.67 120.38 1ggw s ASP 75 Ca 0.00 1.74 -0.20 0.00 0.71 0.00 0.00 52.55 54.80 1ggw s ASP 75 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1ggw s ASP 75 CO 0.00 -0.10 1.73 -0.65 0.21 0.00 0.00 175.17 176.35 1ggw h PRO 76 N 2.98 0.06 0.00 8.23 0.11 -1.99 -1.79 132.00 139.61 1ggw h PRO 76 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ggw h PRO 76 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ggw h PRO 76 CO 0.64 0.04 -0.03 0.93 -0.21 0.00 0.00 178.00 179.37 1ggw h GLU 77 N 0.06 0.00 0.01 1.05 5.08 -1.99 -2.69 114.58 116.10 1ggw h GLU 77 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ggw h GLU 77 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ggw h GLU 77 CO -0.13 0.03 -0.00 1.49 -1.00 0.00 0.00 179.01 179.40 1ggw h GLU 78 N 0.00 -0.01 -0.36 2.33 4.81 -1.72 -1.86 114.58 117.76 1ggw h GLU 78 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ggw h GLU 78 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ggw h GLU 78 CO 0.00 0.43 -0.22 0.27 -0.73 0.00 0.00 179.01 178.76 1ggw h PHE 79 N -0.46 0.79 0.30 0.92 -5.15 -1.37 -1.35 116.94 110.62 1ggw h PHE 79 Ca -0.00 -0.17 -0.01 0.00 -0.20 0.00 0.00 57.97 57.58 1ggw h PHE 79 Cb 0.45 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 36.43 1ggw h PHE 79 CO 0.08 0.86 -0.14 0.28 -2.00 0.00 0.00 178.31 177.39 1ggw h VAL 80 N 0.62 0.74 0.00 0.88 2.07 -1.51 -2.55 116.25 116.49 1ggw h VAL 80 Ca 0.09 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1ggw h VAL 80 Cb 0.71 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ggw h VAL 80 CO 0.05 0.09 -0.21 0.50 0.02 0.00 0.00 177.57 178.02 1ggw h LYS 81 N -0.63 0.00 -0.07 1.57 1.63 -1.35 -1.54 116.57 116.18 1ggw h LYS 81 Ca -0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ggw h LYS 81 Cb 0.45 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1ggw h LYS 81 CO 0.07 0.21 0.01 0.78 -3.45 0.00 0.00 179.45 177.06 1ggw h GLY 82 N 0.67 0.12 1.35 5.01 0.00 -1.12 -3.20 103.07 105.89 1ggw h GLY 82 Ca -0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 1ggw h GLY 82 CO 0.03 0.07 -0.63 0.74 0.00 0.00 0.00 176.54 176.75 1ggw h PHE 83 N -0.13 0.86 -0.26 5.60 0.04 -1.35 -3.36 116.94 118.34 1ggw h PHE 83 Ca 0.02 -0.33 -0.68 0.00 2.80 0.00 0.00 57.97 59.77 1ggw h PHE 83 Cb 0.28 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 1ggw h PHE 83 CO 0.02 1.12 2.74 0.94 -0.60 0.00 0.00 178.31 182.53 1ggw n GLN 84 N -3.95 2.80 0.07 1.51 -0.06 -0.59 -4.26 117.38 112.90 1ggw n GLN 84 Ca -0.05 -2.73 0.00 0.00 -2.00 0.00 0.00 57.00 52.23 1ggw n GLN 84 Cb 0.66 -3.33 0.00 0.00 -4.06 0.00 0.00 30.24 23.50 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ggw n VAL 85 N 5.63 0.16 -2.11 1.69 0.31 -1.26 -4.84 118.33 117.91 1ggw n VAL 85 Ca 0.51 0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.84 1ggw n VAL 85 Cb 0.41 -0.52 0.09 0.00 -0.91 0.00 0.00 33.84 32.91 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ggw n PHE 86 N -3.03 1.10 -2.66 3.52 3.01 -1.26 -4.81 117.46 113.34 1ggw n PHE 86 Ca 0.00 -1.67 -0.19 0.00 1.01 0.00 0.00 57.45 56.60 1ggw n PHE 86 Cb 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ggw n ASP 87 N -0.61 3.11 -3.41 4.37 2.03 -1.26 -4.96 116.55 115.81 1ggw n ASP 87 Ca 0.23 -3.27 -0.33 0.00 0.52 0.00 0.00 54.79 51.93 1ggw n ASP 87 Cb 0.88 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 1ggw n ASP 87 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ggw n LYS 88 N -0.23 2.01 0.00 -0.67 4.76 -1.26 -4.05 118.16 118.72 1ggw n LYS 88 Ca 0.26 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 1ggw n LYS 88 Cb 0.69 -2.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 1ggw n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ggw n ASP 89 N 5.67 0.00 -3.79 4.39 -0.08 -1.26 -5.05 116.55 116.43 1ggw n ASP 89 Ca 0.49 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.52 1ggw n ASP 89 Cb 0.27 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.76 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -2.07 -1.71 -2.74 -1.67 0.00 -1.26 -4.91 120.51 106.16 1ggw n ALA 90 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1ggw n ALA 90 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 19.45 16.48 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -4.46 0.83 0.00 0.00 -1.04 -1.26 -4.95 114.28 103.41 1ggw n THR 91 Ca -0.16 -2.51 0.00 0.00 -2.04 0.00 0.00 64.05 59.34 1ggw n THR 91 Cb 0.61 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.14 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggw n GLY 92 N -0.56 1.63 3.64 3.41 0.00 -1.26 -5.12 105.19 106.94 1ggw n GLY 92 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1ggw n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 93 N -0.50 0.32 -0.07 1.61 0.00 -1.26 -4.42 119.30 114.97 1ggw s MET 93 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 55.69 56.15 1ggw s MET 93 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 34.83 34.89 1ggw s MET 93 CO 0.00 -0.05 -0.07 1.51 0.00 0.00 0.00 175.02 176.41 1ggw n ILE 94 N 2.85 0.41 -2.33 10.11 0.00 -1.26 -4.22 119.36 124.92 1ggw n ILE 94 Ca -0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 62.75 62.40 1ggw n ILE 94 Cb 0.57 -0.93 0.01 0.00 0.00 0.00 0.00 39.64 39.28 1ggw n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ggw n GLY 95 N 3.03 -1.21 0.50 4.50 0.00 -1.21 -4.74 105.19 106.05 1ggw n GLY 95 Ca -0.13 0.71 0.36 0.00 0.00 0.00 0.00 46.02 46.96 1ggw n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggw h VAL 96 N 1.27 0.24 -1.00 1.61 2.07 0.71 0.22 116.25 121.37 1ggw h VAL 96 Ca 0.00 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 67.76 1ggw h VAL 96 Cb 0.59 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 1ggw h VAL 96 CO 0.12 0.02 0.58 1.23 0.02 0.00 0.00 177.57 179.54 1ggw h GLY 97 N 0.13 1.99 0.20 2.17 0.00 -1.68 0.80 103.07 106.67 1ggw h GLY 97 Ca 0.74 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1ggw h GLY 97 CO -0.27 -0.37 -0.01 0.83 0.00 0.00 0.00 176.54 176.72 1ggw h GLU 98 N 0.45 -0.02 -0.58 4.80 3.07 -1.24 -2.78 114.58 118.28 1ggw h GLU 98 Ca 0.69 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.58 1ggw h GLU 98 Cb 1.46 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.34 1ggw h GLU 98 CO -0.55 0.74 0.38 1.37 -1.40 0.00 0.00 179.01 179.55 1ggw h LEU 99 N -0.82 0.60 0.40 1.33 8.10 -1.29 -2.46 115.31 121.17 1ggw h LEU 99 Ca -0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1ggw h LEU 99 Cb 0.76 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 1ggw h LEU 99 CO 0.00 0.42 -0.19 -0.09 -4.11 0.00 0.00 178.44 174.47 1ggw h ARG 100 N 0.70 -0.51 -0.97 0.17 2.43 0.50 -1.68 114.38 115.01 1ggw h ARG 100 Ca 0.23 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.61 1ggw h ARG 100 Cb 0.05 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.63 1ggw h ARG 100 CO -0.06 -0.20 0.61 -0.92 -1.51 0.00 0.00 179.97 177.89 1ggw h TYR 101 N -0.88 0.95 0.32 2.20 3.20 -1.32 0.21 116.97 121.65 1ggw h TYR 101 Ca -0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1ggw h TYR 101 Cb 0.55 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1ggw h TYR 101 CO 0.02 0.27 -0.15 0.28 -1.64 0.00 0.00 178.16 176.94 1ggw h VAL 102 N 0.73 0.30 -0.61 1.81 2.07 -1.44 -3.12 116.25 115.99 1ggw h VAL 102 Ca 0.52 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ggw h VAL 102 Cb 0.85 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1ggw h VAL 102 CO -0.29 0.07 0.34 -0.07 0.02 0.00 0.00 177.57 177.64 1ggw h LEU 103 N -1.04 0.73 -1.20 2.57 3.38 -1.10 -2.45 115.31 116.21 1ggw h LEU 103 Ca -0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ggw h LEU 103 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ggw h LEU 103 CO 0.07 0.58 0.31 0.74 0.09 0.00 0.00 178.44 180.23 1ggw h THR 104 N 0.84 1.20 0.00 0.22 2.02 -0.69 -1.86 112.91 114.64 1ggw h THR 104 Ca 0.22 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1ggw h THR 104 Cb 0.00 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1ggw h THR 104 CO -0.04 0.23 -0.07 -1.28 0.37 0.00 0.00 175.52 174.73 1ggw h SER 105 N 0.87 0.00 0.00 4.18 0.87 -1.37 -2.39 113.55 115.71 1ggw h SER 105 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ggw h SER 105 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1ggw h SER 105 CO -0.03 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.52 1ggw n LEU 106 N -3.41 0.22 -2.71 2.23 4.77 -0.70 -4.78 117.00 112.62 1ggw n LEU 106 Ca -0.02 0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 56.62 1ggw n LEU 106 Cb 0.22 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1ggw n LEU 106 CO 0.27 -0.35 0.33 0.61 -1.33 0.00 0.00 177.39 176.92 1ggw n GLY 107 N -0.12 1.38 2.98 -0.72 0.00 -1.24 -4.98 105.19 102.48 1ggw n GLY 107 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1ggw n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggw n GLU 108 N -0.38 -5.53 0.00 1.61 1.02 -0.90 -5.04 120.64 111.42 1ggw n GLU 108 Ca 0.01 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1ggw n GLU 108 Cb 0.83 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ggw n LYS 109 N -3.63 2.78 -1.78 3.49 3.00 -1.23 -4.63 118.16 116.16 1ggw n LYS 109 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.83 1ggw n LYS 109 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.58 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ggw n LEU 110 N 0.00 3.17 0.00 3.14 7.99 -1.26 -4.82 117.00 125.22 1ggw n LEU 110 Ca 0.00 -3.03 -0.16 0.00 -0.01 0.00 0.00 56.01 52.81 1ggw n LEU 110 Cb 0.00 -1.55 0.13 0.00 -0.11 0.00 0.00 43.42 41.89 1ggw n LEU 110 CO 0.00 -1.57 0.33 -1.54 -1.51 0.00 0.00 177.39 173.09 1ggw n SER 111 N 12.86 -1.58 -0.33 -1.43 3.41 -1.26 -4.38 113.62 120.90 1ggw n SER 111 Ca 0.46 -0.86 0.15 0.00 -0.26 0.00 0.00 58.87 58.36 1ggw n SER 111 Cb 0.45 -0.54 0.37 0.00 -0.26 0.00 0.00 64.21 64.23 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -1.93 0.69 -0.05 4.04 -0.73 -1.93 0.18 115.58 115.85 1ggw h ASN 112 Ca -0.22 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.02 1ggw h ASN 112 Cb 0.67 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 1ggw h ASN 112 CO 0.14 0.23 -0.03 -0.08 -0.37 0.00 0.00 177.43 177.33 1ggw h GLU 113 N 0.67 0.11 0.11 6.67 4.81 -1.97 0.62 114.58 125.60 1ggw h GLU 113 Ca 0.57 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1ggw h GLU 113 Cb 1.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1ggw h GLU 113 CO -0.34 0.50 -0.09 0.93 -0.73 0.00 0.00 179.01 179.27 1ggw h GLU 114 N -0.28 -0.21 0.00 1.92 4.39 -1.63 -2.09 114.58 116.68 1ggw h GLU 114 Ca 0.01 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1ggw h GLU 114 Cb 0.47 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1ggw h GLU 114 CO 0.01 -0.14 -0.23 0.00 -1.16 0.00 0.00 179.01 177.49 1ggw h MET 115 N -0.21 0.00 -0.42 2.33 -0.00 -1.06 -2.76 114.93 112.81 1ggw h MET 115 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.72 1ggw h MET 115 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.77 1ggw h MET 115 CO -0.01 0.23 0.23 -0.44 -0.00 0.00 0.00 176.91 176.92 1ggw h ASP 116 N 0.00 0.36 -0.37 -0.10 3.32 -0.18 0.35 116.42 119.80 1ggw h ASP 116 Ca -0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1ggw h ASP 116 Cb 0.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1ggw h ASP 116 CO 0.03 0.26 0.03 -0.33 -1.72 0.00 0.00 179.24 177.51 1ggw h GLU 117 N 0.46 0.63 -0.66 3.56 5.08 -1.21 0.13 114.58 122.57 1ggw h GLU 117 Ca 0.17 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ggw h GLU 117 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1ggw h GLU 117 CO -0.10 0.71 0.44 1.37 -1.00 0.00 0.00 179.01 180.43 1ggw h LEU 118 N 0.46 0.75 -0.89 1.33 8.10 -1.19 -2.23 115.31 121.64 1ggw h LEU 118 Ca 0.11 -0.02 -0.11 0.00 0.11 0.00 0.00 57.88 57.97 1ggw h LEU 118 Cb 0.41 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1ggw h LEU 118 CO 0.01 0.55 -0.42 -0.07 -4.11 0.00 0.00 178.44 174.40 1ggw h LEU 119 N 0.89 0.30 -1.05 0.17 3.38 -0.16 -2.91 115.31 115.92 1ggw h LEU 119 Ca 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ggw h LEU 119 Cb -0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ggw h LEU 119 CO -0.05 0.69 0.40 0.11 0.09 0.00 0.00 178.44 179.68 1ggw h LYS 120 N 0.24 1.06 -0.11 1.13 1.57 -0.38 -3.05 116.57 117.03 1ggw h LYS 120 Ca 0.02 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1ggw h LYS 120 Cb 0.84 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1ggw h LYS 120 CO 0.07 0.79 -0.17 0.78 -0.57 0.00 0.00 179.45 180.35 1ggw h GLY 121 N 1.10 0.33 -5.24 3.86 0.00 -1.32 -3.43 103.07 98.38 1ggw h GLY 121 Ca 0.27 -0.38 -0.57 0.00 0.00 0.00 0.00 47.33 46.65 1ggw h GLY 121 CO -0.04 0.34 0.20 0.14 0.00 0.00 0.00 176.54 177.18 1ggw s VAL 122 N -4.08 4.98 -1.29 4.60 1.01 -1.11 -4.96 120.40 119.55 1ggw s VAL 122 Ca -0.14 1.50 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 1ggw s VAL 122 Cb 0.04 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1ggw s VAL 122 CO 0.75 0.16 2.64 -0.81 0.00 0.00 0.00 175.10 177.83 1ggw n PRO 123 N 4.41 2.99 -4.46 2.72 -0.04 -1.26 -4.80 135.00 134.57 1ggw n PRO 123 Ca 0.01 -1.86 -0.23 0.00 -0.04 0.00 0.00 63.50 61.38 1ggw n PRO 123 Cb 0.50 -2.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.25 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 2.62 0.56 -0.09 0.52 -7.23 -1.26 -5.13 120.40 110.39 1ggw s VAL 124 Ca 0.57 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1ggw s VAL 124 Cb 0.15 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1ggw s VAL 124 CO -0.05 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.97 1ggw s LYS 125 N -3.73 2.89 0.00 4.82 1.02 -1.26 -4.60 119.74 118.88 1ggw s LYS 125 Ca 0.28 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1ggw s LYS 125 Cb 0.04 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1ggw s LYS 125 CO 0.16 0.27 0.00 -3.47 -0.92 0.00 0.00 175.35 171.39 1ggw n ASP 126 N 3.28 0.00 -1.26 2.83 2.03 -1.26 -3.71 116.55 118.46 1ggw n ASP 126 Ca -0.18 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.11 1ggw n ASP 126 Cb 0.53 -0.39 0.01 0.00 -0.72 0.00 0.00 41.12 40.54 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggw n GLY 127 N -2.00 0.41 3.41 0.27 0.00 -1.26 -1.07 105.19 104.95 1ggw n GLY 127 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N -4.02 3.11 0.00 1.61 0.00 -1.24 -0.78 119.30 117.98 1ggw s MET 128 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 55.69 54.81 1ggw s MET 128 Cb -0.00 -3.65 0.00 0.00 0.00 0.00 0.00 34.83 31.18 1ggw s MET 128 CO 0.06 -0.55 0.93 0.28 0.00 0.00 0.00 175.02 175.75 1ggw n VAL 129 N 4.99 0.00 -1.76 10.11 0.31 -1.26 -4.83 118.33 125.89 1ggw n VAL 129 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.00 1ggw n VAL 129 Cb 0.48 0.45 -0.07 0.00 -0.91 0.00 0.00 33.84 33.79 1ggw n VAL 129 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ggw n ASN 130 N 0.00 -5.45 0.00 4.52 4.05 -1.26 -4.60 115.26 112.52 1ggw n ASN 130 Ca 0.00 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.42 1ggw n ASN 130 Cb 0.67 -4.76 0.00 0.00 1.23 0.00 0.00 39.78 36.92 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ggw n TYR 131 N -2.69 -0.55 0.00 1.20 4.19 -1.26 -4.73 117.16 113.31 1ggw n TYR 131 Ca -0.21 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.00 1ggw n TYR 131 Cb 0.67 0.12 0.00 0.00 0.49 0.00 0.00 39.34 40.63 1ggw n TYR 131 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1ggw n HIS 132 N 0.00 0.00 -0.31 2.98 -0.00 -1.26 -4.38 115.22 112.25 1ggw n HIS 132 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 1ggw n HIS 132 Cb 0.00 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.11 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1ggw h ASP 133 N 0.00 0.64 0.52 0.26 3.58 -1.85 0.71 116.42 120.29 1ggw h ASP 133 Ca 0.00 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1ggw h ASP 133 Cb 0.00 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.03 1ggw h ASP 133 CO 0.00 0.28 -0.25 -0.26 -2.88 0.00 0.00 179.24 176.13 1ggw h PHE 134 N 0.71 -0.65 0.00 0.28 0.04 -1.93 -2.72 116.94 112.68 1ggw h PHE 134 Ca 0.48 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.22 1ggw h PHE 134 Cb 0.64 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1ggw h PHE 134 CO -0.06 -0.33 -0.09 0.28 -0.60 0.00 0.00 178.31 177.51 1ggw h VAL 135 N -0.98 0.96 -0.01 -0.55 2.07 -1.83 -2.51 116.25 113.40 1ggw h VAL 135 Ca -0.07 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ggw h VAL 135 Cb 0.62 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1ggw h VAL 135 CO 0.12 0.09 0.01 -0.61 0.02 0.00 0.00 177.57 177.20 1ggw h GLN 136 N 0.00 0.02 -0.25 1.57 5.75 0.53 -0.10 115.11 122.64 1ggw h GLN 136 Ca -0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1ggw h GLN 136 Cb 0.17 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1ggw h GLN 136 CO 0.01 0.14 -0.15 1.98 -2.65 0.00 0.00 178.83 178.16 1ggw h MET 137 N -0.11 0.42 -0.48 1.69 4.05 -1.22 -2.75 114.93 116.54 1ggw h MET 137 Ca 0.00 -0.12 -0.11 0.00 -0.28 0.00 0.00 59.70 59.19 1ggw h MET 137 Cb 0.13 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1ggw h MET 137 CO -0.00 0.57 -0.15 0.82 0.23 0.00 0.00 176.91 178.38 1ggw h ILE 138 N 0.39 1.27 -1.39 1.77 5.03 -1.19 -3.27 117.51 120.11 1ggw h ILE 138 Ca 0.07 -1.29 -0.75 0.00 -0.12 0.00 0.00 64.86 62.77 1ggw h ILE 138 Cb 0.50 1.06 -0.15 0.00 -3.03 0.00 0.00 36.82 35.20 1ggw h ILE 138 CO 0.03 0.44 2.12 0.18 -0.68 0.00 0.00 178.15 180.24 1ggw n LEU 139 N -4.13 7.42 -2.42 1.44 4.32 -0.07 -4.61 117.00 118.94 1ggw n LEU 139 Ca 0.01 -4.84 -0.17 0.00 -0.02 0.00 0.00 56.01 50.98 1ggw n LEU 139 Cb 0.41 -1.39 0.02 0.00 -1.62 0.00 0.00 43.42 40.85 1ggw n LEU 139 CO 0.45 1.79 0.09 0.00 -1.22 0.00 0.00 177.39 178.50 1ggw n ALA 140 N 2.40 4.27 -1.62 -1.18 0.00 -1.24 -4.93 120.51 118.21 1ggw n ALA 140 Ca 0.51 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1ggw n ALA 140 Cb 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1ggw n ALA 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77